2-(fluoromethyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one

C9H11FN2O — CID 142062298

IUPAC2-(fluoromethyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESO=c1[nH]c(CF)nc2c1CCCC2
InChIInChI=1S/C9H11FN2O/c10-5-8-11-7-4-2-1-3-6(7)9(13)12-8/h1-5H2,(H,11,12,13)
InChIKeyBOEQFCTYVFSDPF-UHFFFAOYSA-N
MW182.20 g/mol
LogP1.12
Rot. Bonds1

About 2-(fluoromethyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one

2-(fluoromethyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one (PubChem CID 142062298) has the molecular formula C9H11FN2O and a molecular weight of 182.20 g/mol. Its IUPAC name is 2-(fluoromethyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(fluoromethyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
PubChem CID142062298
Molecular FormulaC9H11FN2O
Molecular Weight182.20 g/mol
Exact Mass182.09
IUPAC Name2-(fluoromethyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESO=c1[nH]c(CF)nc2c1CCCC2
InChIInChI=1S/C9H11FN2O/c10-5-8-11-7-4-2-1-3-6(7)9(13)12-8/h1-5H2,(H,11,12,13)
InChIKeyBOEQFCTYVFSDPF-UHFFFAOYSA-N
XLogP1.12
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The IUPAC name of 2-(fluoromethyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one (CID 142062298) is 2-(fluoromethyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one.
What is the SMILES notation for 2-(fluoromethyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The canonical SMILES for 2-(fluoromethyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one is O=c1[nH]c(CF)nc2c1CCCC2.
What is the InChIKey of 2-(fluoromethyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The InChIKey is BOEQFCTYVFSDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O/c10-5-8-11-7-4-2-1-3-6(7)9(13)12-8/h1-5H2,(H,11,12,13).
What are the key properties of 2-(fluoromethyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
2-(fluoromethyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one has a molecular weight of 182.20 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one is sourced from PubChem (CID 142062298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).